SCHEMBL20154562

SCHEMBL20154562

COc1ccc(C(=O)N2C3CC2CN(S)C3)nn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.45
GABRA1 P14867 4/20 0.39
SCD5 Q86SK9 2/20 0.35
SCD O00767 1/20 0.35
RET P07949 8/20 0.33
HRH3 Q9Y5N1 1/20 0.32
TRPC6 Q9Y210 1/20 0.31
HCRTR2 O43614 1/20 0.31
BACE1 P56817 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22030882 0.88 NNMT (0.46) NNMTGABRA1SCD5SCDRET
SCHEMBL20160375 0.84 NNMT (0.43) NNMTGABRA1SCD5SCDRET
SCHEMBL23126240 0.84 NNMT (0.43) NNMTGABRA1SCD5SCD
SCHEMBL20069574 0.84 NNMT (0.43) NNMTGABRA1SCD5SCDRET
SCHEMBL21159149 0.75 RET (0.47) RETTRPC6HCRTR2
SCHEMBL20153138 0.70 PDE10A (0.45) RETHCRTR2
SCHEMBL20070578 0.69 MGLL (0.45) RET
SCHEMBL22811914 0.68 RET (0.46) RET
SCHEMBL20154557 0.68 RET (0.46) RET
SCHEMBL23126207 0.68 RET (0.51) RET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF NNMT 2639/4885GABRA1 2005/4885SCD5 4849/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF NNMT 2639/4885GABRA1 2005/4885SCD5 4849/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.